4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole

C52H31N3S — CID 142570761

IUPAC4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2ccc4sc5ccccc5c4c2)c1n3-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1
InChIInChI=1S/C52H31N3S/c1-2-13-36-31-47-44(29-35(36)12-1)42-20-10-19-40(37-27-28-49-45(30-37)41-16-6-8-22-48(41)56-49)51(42)55(47)52-53-46-21-7-5-17-43(46)50(54-52)34-25-23-33(24-26-34)39-18-9-14-32-11-3-4-15-38(32)39/h1-31H
InChIKeyQLHFKFRHSBTAED-UHFFFAOYSA-N
MW729.91 g/mol
LogP14.40
Rot. Bonds4

About 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole

4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 142570761) has the molecular formula C52H31N3S and a molecular weight of 729.91 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID142570761
Molecular FormulaC52H31N3S
Molecular Weight729.91 g/mol
Exact Mass729.22
IUPAC Name4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1cccc(-c2ccc4sc5ccccc5c4c2)c1n3-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1
InChIInChI=1S/C52H31N3S/c1-2-13-36-31-47-44(29-35(36)12-1)42-20-10-19-40(37-27-28-49-45(30-37)41-16-6-8-22-48(41)56-49)51(42)55(47)52-53-46-21-7-5-17-43(46)50(54-52)34-25-23-33(24-26-34)39-18-9-14-32-11-3-4-15-38(32)39/h1-31H
InChIKeyQLHFKFRHSBTAED-UHFFFAOYSA-N
XLogP14.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.91
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
CID 142570568
5-(4-naphthalen-1-ylquinazolin-2-yl)-4-naphtho[2,1-b][1]benzothiol-9-ylbenzo[b]carbazole
CID 142570472
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142570066
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1-naphtho[2,1-b][1]benzothiol-9-ylcarbazole
CID 142570384
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
12-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 71291222
4-(3-dibenzofuran-1-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568029

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole (CID 142570761) is 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1cccc(-c2ccc4sc5ccccc5c4c2)c1n3-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1.
What is the InChIKey of 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is QLHFKFRHSBTAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3S/c1-2-13-36-31-47-44(29-35(36)12-1)42-20-10-19-40(37-27-28-49-45(30-37)41-16-6-8-22-48(41)56-49)51(42)55(47)52-53-46-21-7-5-17-43(46)50(54-52)34-25-23-33(24-26-34)39-18-9-14-32-11-3-4-15-38(32)39/h1-31H.
What are the key properties of 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole?
4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 729.91 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 142570761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).